N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide

C14H21N3O — CID 119404313

IUPACN-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2(N)CCCCC2)n1
InChIInChI=1S/C14H21N3O/c1-11-6-5-7-12(17-11)13(18)16-10-14(15)8-3-2-4-9-14/h5-7H,2-4,8-10,15H2,1H3,(H,16,18)
InChIKeyQRJGMGCQIAYEKE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.78
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide

N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 119404313) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID119404313
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2(N)CCCCC2)n1
InChIInChI=1S/C14H21N3O/c1-11-6-5-7-12(17-11)13(18)16-10-14(15)8-3-2-4-9-14/h5-7H,2-4,8-10,15H2,1H3,(H,16,18)
InChIKeyQRJGMGCQIAYEKE-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
CID 115456878
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119404391
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
6-methyl-N-[(1-pyridin-3-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 110483045
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
CID 60727656
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
N-[(1-aminocyclohexyl)methyl]furan-2-carboxamide
CID 119404531

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide (CID 119404313) is N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC2(N)CCCCC2)n1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is QRJGMGCQIAYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-5-7-12(17-11)13(18)16-10-14(15)8-3-2-4-9-14/h5-7H,2-4,8-10,15H2,1H3,(H,16,18).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide?
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 119404313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).